2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine

C40H25N3S — CID 164821282

IUPAC2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C40H25N3S/c1-3-14-26(15-4-1)37-41-38(32-22-13-21-31-30-20-9-12-25-35(30)44-36(31)32)43-39(42-37)40(27-16-5-2-6-17-27)33-23-10-7-18-28(33)29-19-8-11-24-34(29)40/h1-25H
InChIKeyCLXXCRHTEDKILJ-UHFFFAOYSA-N
MW579.73 g/mol
LogP9.94
Rot. Bonds4

About 2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine (PubChem CID 164821282) has the molecular formula C40H25N3S and a molecular weight of 579.73 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
PubChem CID164821282
Molecular FormulaC40H25N3S
Molecular Weight579.73 g/mol
Exact Mass579.18
IUPAC Name2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C40H25N3S/c1-3-14-26(15-4-1)37-41-38(32-22-13-21-31-30-20-9-12-25-35(30)44-36(31)32)43-39(42-37)40(27-16-5-2-6-17-27)33-23-10-7-18-28(33)29-19-8-11-24-34(29)40/h1-25H
InChIKeyCLXXCRHTEDKILJ-UHFFFAOYSA-N
XLogP9.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.73
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145377395
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 166024803
2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166024815
2-dibenzothiophen-4-yl-4-(9,9-diphenylfluoren-2-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 146669934
2-dibenzothiophen-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821280
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 166024873
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166024839
4-(2-dibenzothiophen-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171602824
2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
CID 164821165
4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603284
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine (CID 164821282) is 2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine?
The InChIKey is CLXXCRHTEDKILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3S/c1-3-14-26(15-4-1)37-41-38(32-22-13-21-31-30-20-9-12-25-35(30)44-36(31)32)43-39(42-37)40(27-16-5-2-6-17-27)33-23-10-7-18-28(33)29-19-8-11-24-34(29)40/h1-25H.
What are the key properties of 2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine has a molecular weight of 579.73 g/mol, XLogP of 9.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine is sourced from PubChem (CID 164821282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).